pentadeca-1,3,5,7,9,11,13-heptayne

C15H4 — CID 22090241

IUPACpentadeca-1,3,5,7,9,11,13-heptayne
SMILESC#CC#CC#CC#CC#CC#CC#CC
InChIInChI=1S/C15H4/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h1H,2H3
InChIKeyDBPRHOYCOAUDFO-UHFFFAOYSA-N
MW184.20 g/mol
LogP0.66
Rot. Bonds

About pentadeca-1,3,5,7,9,11,13-heptayne

pentadeca-1,3,5,7,9,11,13-heptayne (PubChem CID 22090241) has the molecular formula C15H4 and a molecular weight of 184.20 g/mol. Its IUPAC name is pentadeca-1,3,5,7,9,11,13-heptayne.

Molecular Properties

Compound Namepentadeca-1,3,5,7,9,11,13-heptayne
PubChem CID22090241
Molecular FormulaC15H4
Molecular Weight184.20 g/mol
Exact Mass184.03
IUPAC Namepentadeca-1,3,5,7,9,11,13-heptayne
SMILESC#CC#CC#CC#CC#CC#CC#CC
InChIInChI=1S/C15H4/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h1H,2H3
InChIKeyDBPRHOYCOAUDFO-UHFFFAOYSA-N
XLogP0.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pentadeca-1,3,5,7,9,11,13-heptayne?
The IUPAC name of pentadeca-1,3,5,7,9,11,13-heptayne (CID 22090241) is pentadeca-1,3,5,7,9,11,13-heptayne.
What is the SMILES notation for pentadeca-1,3,5,7,9,11,13-heptayne?
The canonical SMILES for pentadeca-1,3,5,7,9,11,13-heptayne is C#CC#CC#CC#CC#CC#CC#CC.
What is the InChIKey of pentadeca-1,3,5,7,9,11,13-heptayne?
The InChIKey is DBPRHOYCOAUDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H4/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h1H,2H3.
What are the key properties of pentadeca-1,3,5,7,9,11,13-heptayne?
pentadeca-1,3,5,7,9,11,13-heptayne has a molecular weight of 184.20 g/mol, XLogP of 0.66, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentadeca-1,3,5,7,9,11,13-heptayne is sourced from PubChem (CID 22090241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).